Keyword(s): Human Metabolites
Molecule Category Free-form
UNII L24KKS9ZHC
EPA CompTox DTXSID80188658

Structure

InChI Key XJINZNWPEQMMBV-UHFFFAOYSA-N
Smiles CCCCCCNC
InChI
InChI=1S/C7H17N/c1-3-4-5-6-7-8-2/h8H,3-7H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H17N1
Molecular Weight 115.14
AlogP 1.79
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 12.03
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 35161-70-7
NORMAN SUSDAT
FDA SRS L24KKS9ZHC
PubChem 37079
ChemSpider 34025.0